Predicting estrogen receptor binding of chemicals using a suite of in silico methods - Complementary approaches of (Q)SAR, molecular docking and molecular dynamics.

Cotterill, J VPalazzolo, LRidgway, CPrice, NRorije, EMoretto, APeijnenburg, AEberini, I2019-10-112019-10-112019-09-011096-03333122050710.1016/j.taap.2019.114630http://hdl.handle.net/10029/623318enEstrogen receptorIn SilicoLow-mode molecular dynamics simulationMolecular dockingQSARPredicting estrogen receptor binding of chemicals using a suite of in silico methods - Complementary approaches of (Q)SAR, molecular docking and molecular dynamics.Toxicol Appl Pharmacol 2019; 378:114630